Basic information
- CAS
1045-97-2- Standard SMILES
C=CCC1C(=O)N(c2ccccc2)C(=O)N(C2CCCCC2)C1=O- InChIKey
KUOBVCZIZVOJEJ-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-1-cyclohexyl-3-phenyl-
- IUPAC
- 1-cyclohexyl-3-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 1-Cyclohexyl-3-phenyl-5-(2-propenyl)barbituric acid
- Molecular formula
- C19H22N2O3
- Molecular weight
- 326.39
Names & synonyms
1045-97-2BARBITURIC ACID, 5-ALLYL-1-CYCLOHEXYL-3-PHENYL-RefChem:10776061-Cyclohexyl-3-phenyl-5-(2-propenyl)barbituric acid5-Allyl-1-cyclohexyl-3-phenylbarbituric acidBRN 07649971-cyclohexyl-3-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione5-Allyl-1-cyclohexyl-3-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrioneDTXSID709090111-CYCLOHEXYL-3-PHENYL-5-(PROP-2-EN-1-YL)-1,3-DIAZINANE-2,4,6-TRIONE2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-3-phenyl-5-(2-propen-1-yl)-
Database identifiers
- CAS
1045-97-2- PubChem CID
- 13974
- DTXSID
DTXSID70909011- Nikkaji
- J54.713A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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